N-methyl-N-quinolin-8-yloxysulfanylmethanamine

C11H12N2OS — CID 142037871

IUPACN-methyl-N-quinolin-8-yloxysulfanylmethanamine
SMILESCN(C)SOc1cccc2cccnc12
InChIInChI=1S/C11H12N2OS/c1-13(2)15-14-10-7-3-5-9-6-4-8-12-11(9)10/h3-8H,1-2H3
InChIKeyMYXDNIBISWGPFR-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.74
Rot. Bonds3

About N-methyl-N-quinolin-8-yloxysulfanylmethanamine

N-methyl-N-quinolin-8-yloxysulfanylmethanamine (PubChem CID 142037871) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is N-methyl-N-quinolin-8-yloxysulfanylmethanamine.

Molecular Properties

Compound NameN-methyl-N-quinolin-8-yloxysulfanylmethanamine
PubChem CID142037871
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameN-methyl-N-quinolin-8-yloxysulfanylmethanamine
SMILESCN(C)SOc1cccc2cccnc12
InChIInChI=1S/C11H12N2OS/c1-13(2)15-14-10-7-3-5-9-6-4-8-12-11(9)10/h3-8H,1-2H3
InChIKeyMYXDNIBISWGPFR-UHFFFAOYSA-N
XLogP2.74
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tri(quinolin-8-yloxy)alumane
CID 16683111
8-[(Dihydroxybismuthino)oxy]quinoline
CID 16684350
CID 137322014
CID 137322014
8-(chloromethoxy)quinoline
CID 79531226
8-(2,2,2-trifluoroethoxy)quinoline
CID 70258854
oxo(quinolin-8-yloxy)borane
CID 54325003
bis(1,10-phenanthroline);ruthenium
CID 15001085
N',N'-dimethyl-2-quinolin-8-yloxyacetohydrazide
CID 116820845
8-[(2S)-butan-2-yl]oxyquinoline
CID 99646584
sodium;copper(1+);quinolin-8-yl phosphite
CID 175504092
2-quinolin-8-yloxyethanamine
CID 17174906
2-[methyl(quinolin-8-yloxycarbonyl)amino]acetic acid
CID 116819580

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-quinolin-8-yloxysulfanylmethanamine?
The IUPAC name of N-methyl-N-quinolin-8-yloxysulfanylmethanamine (CID 142037871) is N-methyl-N-quinolin-8-yloxysulfanylmethanamine.
What is the SMILES notation for N-methyl-N-quinolin-8-yloxysulfanylmethanamine?
The canonical SMILES for N-methyl-N-quinolin-8-yloxysulfanylmethanamine is CN(C)SOc1cccc2cccnc12.
What is the InChIKey of N-methyl-N-quinolin-8-yloxysulfanylmethanamine?
The InChIKey is MYXDNIBISWGPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-13(2)15-14-10-7-3-5-9-6-4-8-12-11(9)10/h3-8H,1-2H3.
What are the key properties of N-methyl-N-quinolin-8-yloxysulfanylmethanamine?
N-methyl-N-quinolin-8-yloxysulfanylmethanamine has a molecular weight of 220.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-quinolin-8-yloxysulfanylmethanamine is sourced from PubChem (CID 142037871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).